(E)-3-[(E)-prop-1-enoxy]non-2-ene

C12H22O — CID 142659698

IUPAC(E)-3-[(E)-prop-1-enoxy]non-2-ene
SMILESC/C=C/O/C(=C/C)CCCCCC
InChIInChI=1S/C12H22O/c1-4-7-8-9-10-12(6-3)13-11-5-2/h5-6,11H,4,7-10H2,1-3H3/b11-5+,12-6+
InChIKeyABTUJBUSQOESLS-YDWXAUTNSA-N
MW182.31 g/mol
LogP4.41
Rot. Bonds7

About (E)-3-[(E)-prop-1-enoxy]non-2-ene

(E)-3-[(E)-prop-1-enoxy]non-2-ene (PubChem CID 142659698) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-3-[(E)-prop-1-enoxy]non-2-ene.

Molecular Properties

Compound Name(E)-3-[(E)-prop-1-enoxy]non-2-ene
PubChem CID142659698
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(E)-3-[(E)-prop-1-enoxy]non-2-ene
SMILESC/C=C/O/C(=C/C)CCCCCC
InChIInChI=1S/C12H22O/c1-4-7-8-9-10-12(6-3)13-11-5-2/h5-6,11H,4,7-10H2,1-3H3/b11-5+,12-6+
InChIKeyABTUJBUSQOESLS-YDWXAUTNSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxycyclohexene
CID 224844
1-Methoxycycloheptene
CID 11029851
1-Methoxycyclooctene
CID 11083980
Oleyl alcohol, methyl ether
CID 12550087
1-Methoxycyclododecene
CID 520016
trans-1-Methoxycyclododecene
CID 5463037
1-Methoxyoctadec-9-ene
CID 551192
1-Propoxycyclohex-1-ene
CID 20071904
1-Butoxycyclohexene
CID 21997072
1-Isopropoxycyclohexene
CID 4366136
Heptane, 1-(1-butenyloxy)-, (E)-
CID 5366295
1-Methoxytridec-5-ene
CID 6366338

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-prop-1-enoxy]non-2-ene?
The IUPAC name of (E)-3-[(E)-prop-1-enoxy]non-2-ene (CID 142659698) is (E)-3-[(E)-prop-1-enoxy]non-2-ene.
What is the SMILES notation for (E)-3-[(E)-prop-1-enoxy]non-2-ene?
The canonical SMILES for (E)-3-[(E)-prop-1-enoxy]non-2-ene is C/C=C/O/C(=C/C)CCCCCC.
What is the InChIKey of (E)-3-[(E)-prop-1-enoxy]non-2-ene?
The InChIKey is ABTUJBUSQOESLS-YDWXAUTNSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-8-9-10-12(6-3)13-11-5-2/h5-6,11H,4,7-10H2,1-3H3/b11-5+,12-6+.
What are the key properties of (E)-3-[(E)-prop-1-enoxy]non-2-ene?
(E)-3-[(E)-prop-1-enoxy]non-2-ene has a molecular weight of 182.31 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-prop-1-enoxy]non-2-ene is sourced from PubChem (CID 142659698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).